N-[4-[(3-chloranyl-4-methoxy-4-methyl-cyclohexa-2,5-dien-1-yl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3-chloranyl-4-methoxy-4-methyl-cyclohexa-2,5-dien-1-yl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methoxy-4-methyl-cyclohexa-2,5-dien-1-yl)carbamothioylamino]-3-methoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[(3-chloro-4-methoxy-4-methyl-1-cyclohexa-2,5-dienyl)amino]-sulfanylidenemethyl]amino]-3-methoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-chloro-4-methoxy-4-methylcyclohexa-2,5-dien-1-yl)carbamothioylamino]-3-methoxyphenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-chloro-4-methoxy-4-methyl-cyclohexa-2,5-dien-1-yl)thiocarbamoylamino]-3-methoxy-phenyl]-2-fluoro-benzamide Formula: C23H23ClFN3O3S MolecularWeight: 475.963423

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C=C1Cl)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC)OC

Isomeric SMILES

CC1(C=CC(C=C1Cl)NC(=S)NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC)OC

InChI

InChI=1S/C23H23ClFN3O3S/c1-23(31-3)11-10-15(13-20(23)24)27-22(32)28-18-9-8-14(12-19(18)30-2)26-21(29)16-6-4-5-7-17(16)25/h4-13,15H,1-3H3,(H,26,29)(H2,27,28,32)